# Visualize the crystal orbitals of p states for F based on symmetry-adapted linear combination
crystod --visualize -c 221_PPOSCAR_ScF3 --element F --orbital p --kpoint 0 0 0 
crystod --visualize -c 221_PPOSCAR_ScF3 --element F --orbital p --kpoint 0.5 0.5 0.5
crystod --visualize -c 221_PPOSCAR_ScF3 --element F --orbital p --kpoint 0.5 0.5 0.5 --output SALC_F_p_R.html

# Visualize the crystal orbitals of p states for F based on symmetry-adapted linear combination with real-number coefficients 
crystod --visualize -c 221_PPOSCAR_ScF3 --element F --orbital p --kpoint 0 0 0 --real-coefficient 
crystod --visualize -c 221_PPOSCAR_ScF3 --element F --orbital p --kpoint 1/2 1/2 1/2 --real-coefficient

# Visualize the crystal orbitals of Sc-d and F-p states with Sc-F bondings 
crystod --visualize -c 221_PPOSCAR_ScF3 --element Sc --orbital d --kpoint 0 0 0 --bond Sc F 2.5 --real-coefficient
crystod --visualize -c 221_PPOSCAR_ScF3 --element Sc --orbital d --kpoint 0.5 0.5 0.5 --bond Sc F 2.5 --real-coefficient
crystod --visualize -c 221_PPOSCAR_ScF3 --element F --orbital p --kpoint 0.5 0.5 0.5 --bond Sc F 2.5 --real-coefficient

# Visualize the crystal orbitals of chemically bonded ScF3 with the energy levels via extended-Huckel approximation
crystod --visualize -c 221_PPOSCAR_ScF3 --diagonalize --bond Sc F 3

# Visualize the crystal orbitals of chemically bonded ScF3 with the energy levels calculated from PySCF
# You can obtain SALC_pyscf_{poscar_name}_crystal_{kpoint}.html
crystod --visualize --pyscf -c 221_PPOSCAR_ScF3 --bond Sc F 3 --real-coefficient --kmesh 2 2 2 --ke-cutoff 150 --max-l 2 --chk ScF3.chk --diagonalize
